6-(4-fluorophenoxy)-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one

C22H19FN4O3 — CID 20626978

IUPAC6-(4-fluorophenoxy)-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(Oc2ccc(F)cc2)cc2cnc(Nc3ccc(CCO)cc3)nc21
InChIInChI=1S/C22H19FN4O3/c1-27-20-15(12-19(21(27)29)30-18-8-4-16(23)5-9-18)13-24-22(26-20)25-17-6-2-14(3-7-17)10-11-28/h2-9,12-13,28H,10-11H2,1H3,(H,24,25,26)
InChIKeyYREGOWOYBNWWOD-UHFFFAOYSA-N
MW406.42 g/mol
LogP3.54
Rot. Bonds6

About 6-(4-fluorophenoxy)-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one

6-(4-fluorophenoxy)-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 20626978) has the molecular formula C22H19FN4O3 and a molecular weight of 406.42 g/mol. Its IUPAC name is 6-(4-fluorophenoxy)-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(4-fluorophenoxy)-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID20626978
Molecular FormulaC22H19FN4O3
Molecular Weight406.42 g/mol
Exact Mass406.14
IUPAC Name6-(4-fluorophenoxy)-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(Oc2ccc(F)cc2)cc2cnc(Nc3ccc(CCO)cc3)nc21
InChIInChI=1S/C22H19FN4O3/c1-27-20-15(12-19(21(27)29)30-18-8-4-16(23)5-9-18)13-24-22(26-20)25-17-6-2-14(3-7-17)10-11-28/h2-9,12-13,28H,10-11H2,1H3,(H,24,25,26)
InChIKeyYREGOWOYBNWWOD-UHFFFAOYSA-N
XLogP3.54
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenoxy)-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(4-fluorophenoxy)-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 20626978) is 6-(4-fluorophenoxy)-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(4-fluorophenoxy)-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(4-fluorophenoxy)-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(Oc2ccc(F)cc2)cc2cnc(Nc3ccc(CCO)cc3)nc21.
What is the InChIKey of 6-(4-fluorophenoxy)-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is YREGOWOYBNWWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3/c1-27-20-15(12-19(21(27)29)30-18-8-4-16(23)5-9-18)13-24-22(26-20)25-17-6-2-14(3-7-17)10-11-28/h2-9,12-13,28H,10-11H2,1H3,(H,24,25,26).
What are the key properties of 6-(4-fluorophenoxy)-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
6-(4-fluorophenoxy)-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 406.42 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenoxy)-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 20626978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).